SCHEMBL6533884

SCHEMBL6533884

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(C)cc3)c2)cc1)/C(C)=N/OCc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.39
PPARA Q07869 10/20 0.39
MAOB P27338 1/20 0.39
ATM Q13315 1/20 0.38
ALKBH1 Q13686 1/20 0.38
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PPARD Q03181 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6533887 1.00 PPARG (0.39) PPARGPPARAMAOBATMALKBH1
SCHEMBL6532376 0.97 LTA4H (0.43) PPARGPPARAATMALKBH1LTA4H
SCHEMBL6532379 0.97 LTA4H (0.43) PPARGPPARAATMALKBH1LTA4H
SCHEMBL6534150 0.92 PPARG (0.47) PPARGPPARAMAOB
SCHEMBL6534152 0.92 PPARG (0.47) PPARGPPARAMAOB
SCHEMBL6532104 0.90 LTA4H (0.43) PPARGPPARAATMLTA4HNPC1
SCHEMBL6532687 0.90 LTA4H (0.43) PPARGPPARAATMLTA4HNPC1
SCHEMBL6532682 0.90 LTA4H (0.43) PPARGPPARAATMLTA4HNPC1
SCHEMBL6532098 0.90 LTA4H (0.43) PPARGPPARAATMLTA4HNPC1
SCHEMBL6533743 0.90 PPARG (0.48) PPARGPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed